USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0467) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.7!) USER MOD Single : A 10 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 164:sc= -0.657 (180deg=-1.39!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -176:sc= -0.0787 (180deg=-0.146) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -140:sc= -0.104 USER MOD Single : A 41 SER OG : rot -55:sc= -2.57! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -19:sc= -1.99 USER MOD Single : A 53 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -140:sc= -1 USER MOD Single : A 69 MET CE :methyl -121:sc= -2.29 (180deg=-4.25) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 75 ASN : amide:sc= -4.91! C(o=-4.9!,f=-7.5!) USER MOD Single : A 76 THR OG1 : rot 92:sc= 0.0845 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.609 41.223 18.642 1.00 0.00 N ATOM 2 CA GLY A 1 -9.163 39.954 19.191 1.00 0.00 C ATOM 3 C GLY A 1 -10.376 39.471 18.423 1.00 0.00 C ATOM 4 O GLY A 1 -10.553 38.270 18.219 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.715 41.449 19.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.435 41.113 17.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.290 41.994 18.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.392 39.184 19.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.434 40.102 20.236 1.00 0.00 H new ATOM 10 N SER A 2 -11.216 40.409 17.997 1.00 0.00 N ATOM 11 CA SER A 2 -12.421 40.072 17.246 1.00 0.00 C ATOM 12 C SER A 2 -12.234 40.360 15.760 1.00 0.00 C ATOM 13 O SER A 2 -12.772 41.333 15.232 1.00 0.00 O ATOM 14 CB SER A 2 -13.618 40.857 17.785 1.00 0.00 C ATOM 15 OG SER A 2 -14.182 40.217 18.916 1.00 0.00 O ATOM 0 H SER A 2 -11.085 41.408 18.159 1.00 0.00 H new ATOM 0 HA SER A 2 -12.610 39.006 17.369 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.304 41.866 18.053 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.373 40.955 17.005 1.00 0.00 H new ATOM 0 HG SER A 2 -14.944 40.740 19.242 1.00 0.00 H new ATOM 21 N SER A 3 -11.465 39.507 15.091 1.00 0.00 N ATOM 22 CA SER A 3 -11.206 39.668 13.665 1.00 0.00 C ATOM 23 C SER A 3 -11.471 38.368 12.913 1.00 0.00 C ATOM 24 O SER A 3 -10.829 38.081 11.903 1.00 0.00 O ATOM 25 CB SER A 3 -9.761 40.117 13.436 1.00 0.00 C ATOM 26 OG SER A 3 -8.845 39.205 14.018 1.00 0.00 O ATOM 0 H SER A 3 -11.010 38.697 15.513 1.00 0.00 H new ATOM 0 HA SER A 3 -11.883 40.432 13.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.568 40.199 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.613 41.109 13.864 1.00 0.00 H new ATOM 0 HG SER A 3 -7.929 39.513 13.856 1.00 0.00 H new ATOM 32 N GLY A 4 -12.420 37.584 13.414 1.00 0.00 N ATOM 33 CA GLY A 4 -12.754 36.324 12.777 1.00 0.00 C ATOM 34 C GLY A 4 -11.588 35.355 12.763 1.00 0.00 C ATOM 35 O GLY A 4 -10.567 35.612 12.126 1.00 0.00 O ATOM 0 H GLY A 4 -12.964 37.799 14.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.595 35.868 13.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.078 36.512 11.754 1.00 0.00 H new ATOM 39 N SER A 5 -11.740 34.239 13.468 1.00 0.00 N ATOM 40 CA SER A 5 -10.691 33.229 13.535 1.00 0.00 C ATOM 41 C SER A 5 -10.749 32.304 12.323 1.00 0.00 C ATOM 42 O SER A 5 -11.718 31.569 12.138 1.00 0.00 O ATOM 43 CB SER A 5 -10.821 32.413 14.823 1.00 0.00 C ATOM 44 OG SER A 5 -9.574 32.307 15.487 1.00 0.00 O ATOM 0 H SER A 5 -12.579 34.011 14.001 1.00 0.00 H new ATOM 0 HA SER A 5 -9.728 33.740 13.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.549 32.883 15.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.198 31.417 14.590 1.00 0.00 H new ATOM 0 HG SER A 5 -9.684 31.783 16.308 1.00 0.00 H new ATOM 50 N SER A 6 -9.705 32.348 11.502 1.00 0.00 N ATOM 51 CA SER A 6 -9.638 31.514 10.308 1.00 0.00 C ATOM 52 C SER A 6 -8.279 30.830 10.197 1.00 0.00 C ATOM 53 O SER A 6 -7.250 31.415 10.534 1.00 0.00 O ATOM 54 CB SER A 6 -9.903 32.354 9.058 1.00 0.00 C ATOM 55 OG SER A 6 -9.290 33.628 9.160 1.00 0.00 O ATOM 0 H SER A 6 -8.895 32.952 11.642 1.00 0.00 H new ATOM 0 HA SER A 6 -10.406 30.745 10.389 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.523 31.833 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.977 32.474 8.918 1.00 0.00 H new ATOM 0 HG SER A 6 -9.473 34.145 8.348 1.00 0.00 H new ATOM 61 N GLY A 7 -8.284 29.588 9.724 1.00 0.00 N ATOM 62 CA GLY A 7 -7.046 28.845 9.578 1.00 0.00 C ATOM 63 C GLY A 7 -6.167 29.394 8.471 1.00 0.00 C ATOM 64 O GLY A 7 -6.531 29.341 7.297 1.00 0.00 O ATOM 0 H GLY A 7 -9.123 29.083 9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.497 28.870 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.275 27.800 9.371 1.00 0.00 H new ATOM 68 N LEU A 8 -5.008 29.924 8.847 1.00 0.00 N ATOM 69 CA LEU A 8 -4.075 30.487 7.877 1.00 0.00 C ATOM 70 C LEU A 8 -2.752 29.728 7.892 1.00 0.00 C ATOM 71 O LEU A 8 -2.187 29.426 6.840 1.00 0.00 O ATOM 72 CB LEU A 8 -3.829 31.968 8.174 1.00 0.00 C ATOM 73 CG LEU A 8 -3.278 32.266 9.570 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.755 32.274 9.555 1.00 0.00 C ATOM 75 CD2 LEU A 8 -3.816 33.595 10.081 1.00 0.00 C ATOM 0 H LEU A 8 -4.692 29.976 9.816 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.518 30.391 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.132 32.360 7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.767 32.509 8.047 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.608 31.478 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.382 32.488 10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.389 31.299 9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.402 33.041 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.415 33.792 11.075 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.515 34.394 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.904 33.552 10.131 1.00 0.00 H new ATOM 87 N GLN A 9 -2.263 29.422 9.090 1.00 0.00 N ATOM 88 CA GLN A 9 -1.007 28.697 9.239 1.00 0.00 C ATOM 89 C GLN A 9 -1.126 27.613 10.305 1.00 0.00 C ATOM 90 O GLN A 9 -1.231 27.908 11.495 1.00 0.00 O ATOM 91 CB GLN A 9 0.122 29.664 9.604 1.00 0.00 C ATOM 92 CG GLN A 9 1.496 29.013 9.632 1.00 0.00 C ATOM 93 CD GLN A 9 2.508 29.747 8.774 1.00 0.00 C ATOM 94 OE1 GLN A 9 2.149 30.420 7.809 1.00 0.00 O ATOM 95 NE2 GLN A 9 3.783 29.618 9.123 1.00 0.00 N ATOM 0 H GLN A 9 -2.717 29.665 9.970 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.777 28.220 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.132 30.484 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.085 30.098 10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.856 28.977 10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.413 27.982 9.287 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.035 29.049 9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.510 30.088 8.583 1.00 0.00 H new ATOM 104 N GLN A 10 -1.108 26.358 9.868 1.00 0.00 N ATOM 105 CA GLN A 10 -1.215 25.228 10.785 1.00 0.00 C ATOM 106 C GLN A 10 0.073 24.412 10.795 1.00 0.00 C ATOM 107 O GLN A 10 0.945 24.598 9.945 1.00 0.00 O ATOM 108 CB GLN A 10 -2.394 24.335 10.393 1.00 0.00 C ATOM 109 CG GLN A 10 -3.750 24.980 10.628 1.00 0.00 C ATOM 110 CD GLN A 10 -4.484 25.284 9.337 1.00 0.00 C ATOM 111 OE1 GLN A 10 -5.465 24.623 8.997 1.00 0.00 O ATOM 112 NE2 GLN A 10 -4.011 26.289 8.610 1.00 0.00 N ATOM 0 H GLN A 10 -1.020 26.098 8.886 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.383 25.621 11.788 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.304 24.071 9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.340 23.406 10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.361 24.318 11.242 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.616 25.904 11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.195 26.810 8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.464 26.540 7.731 1.00 0.00 H new ATOM 121 N GLN A 11 0.188 23.509 11.763 1.00 0.00 N ATOM 122 CA GLN A 11 1.370 22.664 11.884 1.00 0.00 C ATOM 123 C GLN A 11 0.983 21.241 12.274 1.00 0.00 C ATOM 124 O GLN A 11 0.565 20.988 13.404 1.00 0.00 O ATOM 125 CB GLN A 11 2.335 23.244 12.921 1.00 0.00 C ATOM 126 CG GLN A 11 2.620 24.724 12.724 1.00 0.00 C ATOM 127 CD GLN A 11 3.719 25.232 13.637 1.00 0.00 C ATOM 128 OE1 GLN A 11 3.891 24.740 14.752 1.00 0.00 O ATOM 129 NE2 GLN A 11 4.468 26.222 13.167 1.00 0.00 N ATOM 0 H GLN A 11 -0.523 23.344 12.475 1.00 0.00 H new ATOM 0 HA GLN A 11 1.865 22.635 10.914 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.920 23.092 13.917 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.274 22.693 12.880 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.904 24.901 11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.709 25.293 12.907 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.289 26.599 12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.222 26.606 13.737 1.00 0.00 H new ATOM 138 N GLU A 12 1.127 20.315 11.331 1.00 0.00 N ATOM 139 CA GLU A 12 0.793 18.917 11.577 1.00 0.00 C ATOM 140 C GLU A 12 2.052 18.090 11.814 1.00 0.00 C ATOM 141 O GLU A 12 3.073 18.292 11.158 1.00 0.00 O ATOM 142 CB GLU A 12 0.008 18.343 10.396 1.00 0.00 C ATOM 143 CG GLU A 12 -0.795 17.101 10.745 1.00 0.00 C ATOM 144 CD GLU A 12 -1.472 16.485 9.536 1.00 0.00 C ATOM 145 OE1 GLU A 12 -2.164 17.223 8.803 1.00 0.00 O ATOM 146 OE2 GLU A 12 -1.310 15.266 9.322 1.00 0.00 O ATOM 0 H GLU A 12 1.472 20.507 10.391 1.00 0.00 H new ATOM 0 HA GLU A 12 0.175 18.870 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.669 19.108 10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.703 18.102 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.136 16.363 11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.550 17.358 11.488 1.00 0.00 H new ATOM 153 N GLU A 13 1.972 17.158 12.758 1.00 0.00 N ATOM 154 CA GLU A 13 3.104 16.300 13.084 1.00 0.00 C ATOM 155 C GLU A 13 3.472 15.411 11.900 1.00 0.00 C ATOM 156 O GLU A 13 4.591 15.470 11.390 1.00 0.00 O ATOM 157 CB GLU A 13 2.782 15.435 14.304 1.00 0.00 C ATOM 158 CG GLU A 13 4.008 14.814 14.951 1.00 0.00 C ATOM 159 CD GLU A 13 3.793 14.492 16.417 1.00 0.00 C ATOM 160 OE1 GLU A 13 2.946 15.154 17.053 1.00 0.00 O ATOM 161 OE2 GLU A 13 4.472 13.577 16.930 1.00 0.00 O ATOM 0 H GLU A 13 1.134 16.978 13.311 1.00 0.00 H new ATOM 0 HA GLU A 13 3.956 16.939 13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.261 16.044 15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.098 14.641 14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.273 13.901 14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.852 15.497 14.853 1.00 0.00 H new ATOM 168 N GLU A 14 2.522 14.588 11.467 1.00 0.00 N ATOM 169 CA GLU A 14 2.747 13.686 10.344 1.00 0.00 C ATOM 170 C GLU A 14 2.511 14.401 9.018 1.00 0.00 C ATOM 171 O GLU A 14 1.716 15.338 8.938 1.00 0.00 O ATOM 172 CB GLU A 14 1.828 12.466 10.452 1.00 0.00 C ATOM 173 CG GLU A 14 2.548 11.143 10.244 1.00 0.00 C ATOM 174 CD GLU A 14 2.494 10.250 11.469 1.00 0.00 C ATOM 175 OE1 GLU A 14 2.999 10.668 12.531 1.00 0.00 O ATOM 176 OE2 GLU A 14 1.945 9.132 11.365 1.00 0.00 O ATOM 0 H GLU A 14 1.590 14.527 11.877 1.00 0.00 H new ATOM 0 HA GLU A 14 3.785 13.354 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.356 12.463 11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.030 12.556 9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.102 10.620 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.589 11.337 9.986 1.00 0.00 H new ATOM 183 N THR A 15 3.208 13.954 7.977 1.00 0.00 N ATOM 184 CA THR A 15 3.074 14.553 6.654 1.00 0.00 C ATOM 185 C THR A 15 3.832 13.740 5.609 1.00 0.00 C ATOM 186 O THR A 15 5.022 13.959 5.382 1.00 0.00 O ATOM 187 CB THR A 15 3.587 15.993 6.667 1.00 0.00 C ATOM 188 OG1 THR A 15 3.475 16.577 5.383 1.00 0.00 O ATOM 189 CG2 THR A 15 5.032 16.109 7.100 1.00 0.00 C ATOM 0 H THR A 15 3.870 13.180 8.025 1.00 0.00 H new ATOM 0 HA THR A 15 2.016 14.555 6.390 1.00 0.00 H new ATOM 0 HB THR A 15 2.964 16.515 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.807 17.499 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.333 17.157 7.087 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.142 15.712 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.663 15.542 6.416 1.00 0.00 H new ATOM 197 N TYR A 16 3.135 12.804 4.974 1.00 0.00 N ATOM 198 CA TYR A 16 3.743 11.959 3.952 1.00 0.00 C ATOM 199 C TYR A 16 3.492 12.528 2.558 1.00 0.00 C ATOM 200 O TYR A 16 2.493 12.206 1.917 1.00 0.00 O ATOM 201 CB TYR A 16 3.192 10.536 4.039 1.00 0.00 C ATOM 202 CG TYR A 16 3.510 9.840 5.343 1.00 0.00 C ATOM 203 CD1 TYR A 16 4.799 9.406 5.624 1.00 0.00 C ATOM 204 CD2 TYR A 16 2.521 9.617 6.293 1.00 0.00 C ATOM 205 CE1 TYR A 16 5.095 8.770 6.815 1.00 0.00 C ATOM 206 CE2 TYR A 16 2.808 8.982 7.486 1.00 0.00 C ATOM 207 CZ TYR A 16 4.095 8.560 7.743 1.00 0.00 C ATOM 208 OH TYR A 16 4.385 7.927 8.929 1.00 0.00 O ATOM 0 H TYR A 16 2.149 12.611 5.149 1.00 0.00 H new ATOM 0 HA TYR A 16 4.818 11.935 4.130 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.110 10.566 3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.597 9.948 3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.583 9.568 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.511 9.945 6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.103 8.439 7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.028 8.817 8.214 1.00 0.00 H new ATOM 0 HH TYR A 16 3.571 7.859 9.471 1.00 0.00 H new ATOM 218 N ALA A 17 4.406 13.377 2.098 1.00 0.00 N ATOM 219 CA ALA A 17 4.283 13.993 0.783 1.00 0.00 C ATOM 220 C ALA A 17 5.183 13.301 -0.236 1.00 0.00 C ATOM 221 O ALA A 17 4.905 13.318 -1.436 1.00 0.00 O ATOM 222 CB ALA A 17 4.616 15.475 0.862 1.00 0.00 C ATOM 0 H ALA A 17 5.239 13.653 2.617 1.00 0.00 H new ATOM 0 HA ALA A 17 3.251 13.880 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.520 15.923 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.929 15.966 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.638 15.600 1.219 1.00 0.00 H new ATOM 228 N ASP A 18 6.263 12.693 0.246 1.00 0.00 N ATOM 229 CA ASP A 18 7.202 11.998 -0.627 1.00 0.00 C ATOM 230 C ASP A 18 6.921 10.499 -0.649 1.00 0.00 C ATOM 231 O ASP A 18 7.839 9.687 -0.769 1.00 0.00 O ATOM 232 CB ASP A 18 8.640 12.252 -0.169 1.00 0.00 C ATOM 233 CG ASP A 18 9.065 13.694 -0.369 1.00 0.00 C ATOM 234 OD1 ASP A 18 8.313 14.598 0.053 1.00 0.00 O ATOM 235 OD2 ASP A 18 10.147 13.918 -0.950 1.00 0.00 O ATOM 0 H ASP A 18 6.509 12.668 1.236 1.00 0.00 H new ATOM 0 HA ASP A 18 7.074 12.387 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.734 11.991 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.315 11.597 -0.720 1.00 0.00 H new ATOM 240 N ALA A 19 5.646 10.138 -0.534 1.00 0.00 N ATOM 241 CA ALA A 19 5.246 8.736 -0.541 1.00 0.00 C ATOM 242 C ALA A 19 4.630 8.349 -1.882 1.00 0.00 C ATOM 243 O ALA A 19 3.681 8.980 -2.345 1.00 0.00 O ATOM 244 CB ALA A 19 4.267 8.462 0.590 1.00 0.00 C ATOM 0 H ALA A 19 4.874 10.797 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 19 6.138 8.127 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.976 7.412 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.740 8.692 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.382 9.085 0.464 1.00 0.00 H new ATOM 250 N CYS A 20 5.178 7.309 -2.501 1.00 0.00 N ATOM 251 CA CYS A 20 4.684 6.837 -3.789 1.00 0.00 C ATOM 252 C CYS A 20 3.288 6.239 -3.651 1.00 0.00 C ATOM 253 O CYS A 20 2.825 5.968 -2.542 1.00 0.00 O ATOM 254 CB CYS A 20 5.640 5.799 -4.378 1.00 0.00 C ATOM 255 SG CYS A 20 5.813 5.892 -6.176 1.00 0.00 S ATOM 0 H CYS A 20 5.965 6.776 -2.131 1.00 0.00 H new ATOM 0 HA CYS A 20 4.628 7.692 -4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.622 5.925 -3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.289 4.803 -4.108 1.00 0.00 H new ATOM 0 HG CYS A 20 6.643 4.977 -6.580 1.00 0.00 H new ATOM 261 N ASP A 21 2.622 6.035 -4.781 1.00 0.00 N ATOM 262 CA ASP A 21 1.279 5.467 -4.788 1.00 0.00 C ATOM 263 C ASP A 21 1.297 4.014 -4.322 1.00 0.00 C ATOM 264 O ASP A 21 0.311 3.514 -3.781 1.00 0.00 O ATOM 265 CB ASP A 21 0.669 5.561 -6.188 1.00 0.00 C ATOM 266 CG ASP A 21 -0.244 6.761 -6.342 1.00 0.00 C ATOM 267 OD1 ASP A 21 -1.053 7.014 -5.424 1.00 0.00 O ATOM 268 OD2 ASP A 21 -0.149 7.450 -7.380 1.00 0.00 O ATOM 0 H ASP A 21 2.991 6.255 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 21 0.666 6.042 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.469 5.619 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.107 4.651 -6.398 1.00 0.00 H new ATOM 273 N GLU A 22 2.423 3.340 -4.536 1.00 0.00 N ATOM 274 CA GLU A 22 2.567 1.943 -4.139 1.00 0.00 C ATOM 275 C GLU A 22 2.290 1.768 -2.648 1.00 0.00 C ATOM 276 O GLU A 22 1.815 0.718 -2.215 1.00 0.00 O ATOM 277 CB GLU A 22 3.974 1.440 -4.471 1.00 0.00 C ATOM 278 CG GLU A 22 4.031 -0.048 -4.775 1.00 0.00 C ATOM 279 CD GLU A 22 5.343 -0.462 -5.412 1.00 0.00 C ATOM 280 OE1 GLU A 22 6.292 -0.776 -4.664 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.420 -0.474 -6.659 1.00 0.00 O ATOM 0 H GLU A 22 3.249 3.739 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 22 1.837 1.356 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.355 1.993 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.636 1.657 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.886 -0.610 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.209 -0.311 -5.441 1.00 0.00 H new ATOM 288 N PHE A 23 2.590 2.801 -1.870 1.00 0.00 N ATOM 289 CA PHE A 23 2.373 2.761 -0.428 1.00 0.00 C ATOM 290 C PHE A 23 1.035 3.394 -0.061 1.00 0.00 C ATOM 291 O PHE A 23 0.397 3.001 0.914 1.00 0.00 O ATOM 292 CB PHE A 23 3.509 3.482 0.301 1.00 0.00 C ATOM 293 CG PHE A 23 4.868 2.914 0.007 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.077 1.544 0.013 1.00 0.00 C ATOM 295 CD2 PHE A 23 5.936 3.750 -0.275 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.328 1.020 -0.256 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.188 3.232 -0.544 1.00 0.00 C ATOM 298 CZ PHE A 23 7.384 1.865 -0.535 1.00 0.00 C ATOM 0 H PHE A 23 2.984 3.677 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 23 2.357 1.716 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.497 4.536 0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.329 3.434 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.254 0.879 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.788 4.820 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.479 -0.049 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.012 3.895 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.362 1.457 -0.746 1.00 0.00 H new ATOM 308 N LEU A 24 0.617 4.379 -0.851 1.00 0.00 N ATOM 309 CA LEU A 24 -0.646 5.068 -0.610 1.00 0.00 C ATOM 310 C LEU A 24 -1.830 4.134 -0.835 1.00 0.00 C ATOM 311 O LEU A 24 -1.789 3.263 -1.705 1.00 0.00 O ATOM 312 CB LEU A 24 -0.765 6.291 -1.521 1.00 0.00 C ATOM 313 CG LEU A 24 0.183 7.444 -1.187 1.00 0.00 C ATOM 314 CD1 LEU A 24 -0.062 8.622 -2.117 1.00 0.00 C ATOM 315 CD2 LEU A 24 0.019 7.864 0.265 1.00 0.00 C ATOM 0 H LEU A 24 1.134 4.717 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.659 5.395 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.583 5.978 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.790 6.659 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 24 1.208 7.101 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.621 9.433 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.107 8.313 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.090 8.966 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.701 8.685 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.007 8.189 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.246 7.020 0.916 1.00 0.00 H new ATOM 327 N ASP A 25 -2.883 4.322 -0.049 1.00 0.00 N ATOM 328 CA ASP A 25 -4.081 3.498 -0.163 1.00 0.00 C ATOM 329 C ASP A 25 -4.923 3.927 -1.363 1.00 0.00 C ATOM 330 O ASP A 25 -5.030 5.117 -1.660 1.00 0.00 O ATOM 331 CB ASP A 25 -4.912 3.592 1.119 1.00 0.00 C ATOM 332 CG ASP A 25 -5.487 2.253 1.537 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.784 1.498 2.240 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.642 1.959 1.160 1.00 0.00 O ATOM 0 H ASP A 25 -2.932 5.039 0.675 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.770 2.464 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.290 3.984 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.725 4.302 0.970 1.00 0.00 H new ATOM 339 N PRO A 26 -5.534 2.962 -2.073 1.00 0.00 N ATOM 340 CA PRO A 26 -6.367 3.255 -3.245 1.00 0.00 C ATOM 341 C PRO A 26 -7.643 4.006 -2.876 1.00 0.00 C ATOM 342 O PRO A 26 -8.192 4.750 -3.687 1.00 0.00 O ATOM 343 CB PRO A 26 -6.706 1.869 -3.802 1.00 0.00 C ATOM 344 CG PRO A 26 -6.564 0.946 -2.643 1.00 0.00 C ATOM 345 CD PRO A 26 -5.462 1.516 -1.793 1.00 0.00 C ATOM 0 HA PRO A 26 -5.852 3.899 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.718 1.842 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.031 1.593 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.496 0.879 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.319 -0.063 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.618 1.302 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.490 1.102 -2.062 1.00 0.00 H new ATOM 353 N ILE A 27 -8.108 3.806 -1.646 1.00 0.00 N ATOM 354 CA ILE A 27 -9.318 4.465 -1.173 1.00 0.00 C ATOM 355 C ILE A 27 -8.988 5.581 -0.188 1.00 0.00 C ATOM 356 O ILE A 27 -9.351 6.738 -0.401 1.00 0.00 O ATOM 357 CB ILE A 27 -10.273 3.464 -0.493 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.464 2.229 -1.374 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.612 4.125 -0.200 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.181 1.094 -0.675 1.00 0.00 C ATOM 0 H ILE A 27 -7.665 3.194 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.809 4.890 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.831 3.148 0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.027 2.511 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.489 1.879 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.276 3.406 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.460 4.977 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.061 4.467 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.282 0.251 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.608 0.785 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.170 1.427 -0.361 1.00 0.00 H new ATOM 372 N MET A 28 -8.299 5.227 0.891 1.00 0.00 N ATOM 373 CA MET A 28 -7.919 6.199 1.910 1.00 0.00 C ATOM 374 C MET A 28 -6.982 7.257 1.335 1.00 0.00 C ATOM 375 O MET A 28 -6.947 8.391 1.812 1.00 0.00 O ATOM 376 CB MET A 28 -7.248 5.496 3.092 1.00 0.00 C ATOM 377 CG MET A 28 -8.200 4.634 3.907 1.00 0.00 C ATOM 378 SD MET A 28 -8.912 5.521 5.306 1.00 0.00 S ATOM 379 CE MET A 28 -10.356 6.253 4.542 1.00 0.00 C ATOM 0 H MET A 28 -7.992 4.273 1.083 1.00 0.00 H new ATOM 0 HA MET A 28 -8.826 6.694 2.257 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.435 4.873 2.720 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.801 6.246 3.744 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.002 4.276 3.262 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.667 3.755 4.271 1.00 0.00 H new ATOM 0 HE1 MET A 28 -11.046 6.590 5.316 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.053 7.103 3.931 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.850 5.512 3.913 1.00 0.00 H new ATOM 389 N SER A 29 -6.223 6.879 0.311 1.00 0.00 N ATOM 390 CA SER A 29 -5.287 7.798 -0.326 1.00 0.00 C ATOM 391 C SER A 29 -4.224 8.264 0.665 1.00 0.00 C ATOM 392 O SER A 29 -3.720 9.383 0.569 1.00 0.00 O ATOM 393 CB SER A 29 -6.032 9.005 -0.899 1.00 0.00 C ATOM 394 OG SER A 29 -5.460 9.423 -2.125 1.00 0.00 O ATOM 0 H SER A 29 -6.238 5.943 -0.095 1.00 0.00 H new ATOM 0 HA SER A 29 -4.793 7.267 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.081 8.750 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.005 9.826 -0.183 1.00 0.00 H new ATOM 0 HG SER A 29 -5.955 10.195 -2.471 1.00 0.00 H new ATOM 400 N THR A 30 -3.887 7.397 1.614 1.00 0.00 N ATOM 401 CA THR A 30 -2.883 7.720 2.622 1.00 0.00 C ATOM 402 C THR A 30 -1.843 6.609 2.728 1.00 0.00 C ATOM 403 O THR A 30 -2.028 5.518 2.186 1.00 0.00 O ATOM 404 CB THR A 30 -3.547 7.943 3.982 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.003 6.716 4.524 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.728 8.886 3.925 1.00 0.00 C ATOM 0 H THR A 30 -4.294 6.466 1.706 1.00 0.00 H new ATOM 0 HA THR A 30 -2.380 8.638 2.317 1.00 0.00 H new ATOM 0 HB THR A 30 -2.776 8.391 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.423 6.879 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.152 8.999 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.400 9.858 3.557 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.485 8.481 3.253 1.00 0.00 H new ATOM 414 N LEU A 31 -0.750 6.893 3.428 1.00 0.00 N ATOM 415 CA LEU A 31 0.321 5.918 3.605 1.00 0.00 C ATOM 416 C LEU A 31 -0.198 4.660 4.295 1.00 0.00 C ATOM 417 O LEU A 31 -0.835 4.733 5.345 1.00 0.00 O ATOM 418 CB LEU A 31 1.464 6.527 4.419 1.00 0.00 C ATOM 419 CG LEU A 31 2.775 5.742 4.384 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.590 6.118 3.157 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.576 5.987 5.654 1.00 0.00 C ATOM 0 H LEU A 31 -0.582 7.791 3.882 1.00 0.00 H new ATOM 0 HA LEU A 31 0.695 5.642 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.653 7.536 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.142 6.620 5.456 1.00 0.00 H new ATOM 0 HG LEU A 31 2.539 4.679 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.520 5.549 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.018 5.891 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.817 7.184 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.506 5.421 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.802 7.050 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.994 5.667 6.518 1.00 0.00 H new ATOM 433 N MET A 32 0.079 3.506 3.697 1.00 0.00 N ATOM 434 CA MET A 32 -0.361 2.231 4.252 1.00 0.00 C ATOM 435 C MET A 32 0.670 1.678 5.231 1.00 0.00 C ATOM 436 O MET A 32 1.858 1.598 4.918 1.00 0.00 O ATOM 437 CB MET A 32 -0.609 1.221 3.131 1.00 0.00 C ATOM 438 CG MET A 32 -1.838 1.534 2.292 1.00 0.00 C ATOM 439 SD MET A 32 -2.269 0.194 1.164 1.00 0.00 S ATOM 440 CE MET A 32 -0.927 0.300 -0.017 1.00 0.00 C ATOM 0 H MET A 32 0.606 3.427 2.828 1.00 0.00 H new ATOM 0 HA MET A 32 -1.293 2.401 4.791 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.266 1.189 2.482 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.719 0.228 3.566 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.682 1.734 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.659 2.443 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.090 -0.420 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.888 1.306 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.016 0.078 0.483 1.00 0.00 H new ATOM 450 N CYS A 33 0.207 1.296 6.417 1.00 0.00 N ATOM 451 CA CYS A 33 1.088 0.748 7.443 1.00 0.00 C ATOM 452 C CYS A 33 1.023 -0.775 7.456 1.00 0.00 C ATOM 453 O CYS A 33 2.021 -1.447 7.720 1.00 0.00 O ATOM 454 CB CYS A 33 0.710 1.299 8.818 1.00 0.00 C ATOM 455 SG CYS A 33 1.868 0.858 10.134 1.00 0.00 S ATOM 0 H CYS A 33 -0.774 1.356 6.692 1.00 0.00 H new ATOM 0 HA CYS A 33 2.109 1.049 7.209 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.643 2.385 8.756 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.282 0.933 9.084 1.00 0.00 H new ATOM 0 HG CYS A 33 1.464 1.372 11.258 1.00 0.00 H new ATOM 461 N ASP A 34 -0.156 -1.313 7.169 1.00 0.00 N ATOM 462 CA ASP A 34 -0.354 -2.759 7.145 1.00 0.00 C ATOM 463 C ASP A 34 -1.234 -3.167 5.967 1.00 0.00 C ATOM 464 O ASP A 34 -2.421 -3.446 6.134 1.00 0.00 O ATOM 465 CB ASP A 34 -0.986 -3.230 8.457 1.00 0.00 C ATOM 466 CG ASP A 34 -0.087 -2.983 9.653 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.068 -3.459 9.637 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.537 -2.313 10.607 1.00 0.00 O ATOM 0 H ASP A 34 -0.991 -0.770 6.949 1.00 0.00 H new ATOM 0 HA ASP A 34 0.621 -3.233 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.934 -2.714 8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.210 -4.295 8.388 1.00 0.00 H new ATOM 473 N PRO A 35 -0.660 -3.206 4.752 1.00 0.00 N ATOM 474 CA PRO A 35 -1.398 -3.580 3.541 1.00 0.00 C ATOM 475 C PRO A 35 -1.761 -5.060 3.515 1.00 0.00 C ATOM 476 O PRO A 35 -0.912 -5.923 3.740 1.00 0.00 O ATOM 477 CB PRO A 35 -0.418 -3.250 2.412 1.00 0.00 C ATOM 478 CG PRO A 35 0.929 -3.339 3.042 1.00 0.00 C ATOM 479 CD PRO A 35 0.752 -2.886 4.464 1.00 0.00 C ATOM 0 HA PRO A 35 -2.350 -3.054 3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.516 -3.953 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.601 -2.255 2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.312 -4.359 3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.647 -2.708 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.428 -3.410 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.953 -1.820 4.574 1.00 0.00 H new ATOM 487 N VAL A 36 -3.028 -5.346 3.238 1.00 0.00 N ATOM 488 CA VAL A 36 -3.508 -6.722 3.180 1.00 0.00 C ATOM 489 C VAL A 36 -3.994 -7.073 1.779 1.00 0.00 C ATOM 490 O VAL A 36 -4.762 -6.326 1.172 1.00 0.00 O ATOM 491 CB VAL A 36 -4.652 -6.963 4.183 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.145 -6.841 5.611 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.795 -5.991 3.931 1.00 0.00 C ATOM 0 H VAL A 36 -3.742 -4.643 3.050 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.666 -7.362 3.443 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.028 -7.976 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.967 -7.014 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.362 -7.580 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.741 -5.841 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.594 -6.176 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.435 -4.969 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.176 -6.132 2.919 1.00 0.00 H new ATOM 503 N VAL A 37 -3.542 -8.214 1.268 1.00 0.00 N ATOM 504 CA VAL A 37 -3.931 -8.661 -0.064 1.00 0.00 C ATOM 505 C VAL A 37 -5.308 -9.317 -0.046 1.00 0.00 C ATOM 506 O VAL A 37 -5.543 -10.270 0.698 1.00 0.00 O ATOM 507 CB VAL A 37 -2.911 -9.658 -0.645 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.203 -9.929 -2.112 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.492 -9.139 -0.463 1.00 0.00 C ATOM 0 H VAL A 37 -2.907 -8.845 1.756 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.961 -7.773 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.002 -10.598 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.472 -10.636 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.204 -10.350 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.144 -8.996 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.786 -9.857 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.385 -8.184 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.288 -9.003 0.599 1.00 0.00 H new ATOM 519 N LEU A 38 -6.214 -8.801 -0.870 1.00 0.00 N ATOM 520 CA LEU A 38 -7.568 -9.337 -0.950 1.00 0.00 C ATOM 521 C LEU A 38 -7.637 -10.481 -1.964 1.00 0.00 C ATOM 522 O LEU A 38 -7.405 -10.275 -3.153 1.00 0.00 O ATOM 523 CB LEU A 38 -8.551 -8.234 -1.343 1.00 0.00 C ATOM 524 CG LEU A 38 -8.492 -6.975 -0.475 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.975 -5.764 -1.259 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.319 -7.159 0.788 1.00 0.00 C ATOM 0 H LEU A 38 -6.035 -8.012 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.841 -9.724 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.362 -7.952 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.562 -8.638 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.455 -6.805 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.926 -4.878 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.341 -5.620 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.004 -5.925 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.265 -6.254 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.357 -7.354 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.928 -8.001 1.359 1.00 0.00 H new ATOM 538 N PRO A 39 -7.955 -11.706 -1.507 1.00 0.00 N ATOM 539 CA PRO A 39 -8.048 -12.874 -2.391 1.00 0.00 C ATOM 540 C PRO A 39 -9.226 -12.793 -3.360 1.00 0.00 C ATOM 541 O PRO A 39 -9.341 -13.608 -4.275 1.00 0.00 O ATOM 542 CB PRO A 39 -8.237 -14.043 -1.419 1.00 0.00 C ATOM 543 CG PRO A 39 -8.835 -13.431 -0.200 1.00 0.00 C ATOM 544 CD PRO A 39 -8.249 -12.051 -0.104 1.00 0.00 C ATOM 0 HA PRO A 39 -7.168 -12.965 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.892 -14.806 -1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.287 -14.527 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.922 -13.390 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.600 -14.018 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.950 -11.347 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.348 -12.039 0.510 1.00 0.00 H new ATOM 552 N SER A 40 -10.102 -11.812 -3.155 1.00 0.00 N ATOM 553 CA SER A 40 -11.268 -11.641 -4.014 1.00 0.00 C ATOM 554 C SER A 40 -11.039 -10.537 -5.043 1.00 0.00 C ATOM 555 O SER A 40 -10.951 -10.801 -6.242 1.00 0.00 O ATOM 556 CB SER A 40 -12.503 -11.319 -3.172 1.00 0.00 C ATOM 557 OG SER A 40 -13.589 -10.921 -3.991 1.00 0.00 O ATOM 0 H SER A 40 -10.026 -11.126 -2.404 1.00 0.00 H new ATOM 0 HA SER A 40 -11.431 -12.577 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.786 -12.194 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.267 -10.525 -2.464 1.00 0.00 H new ATOM 0 HG SER A 40 -14.068 -10.182 -3.562 1.00 0.00 H new ATOM 563 N SER A 41 -10.953 -9.299 -4.568 1.00 0.00 N ATOM 564 CA SER A 41 -10.746 -8.153 -5.448 1.00 0.00 C ATOM 565 C SER A 41 -9.300 -8.075 -5.936 1.00 0.00 C ATOM 566 O SER A 41 -9.017 -7.450 -6.958 1.00 0.00 O ATOM 567 CB SER A 41 -11.122 -6.857 -4.727 1.00 0.00 C ATOM 568 OG SER A 41 -10.521 -6.795 -3.445 1.00 0.00 O ATOM 0 H SER A 41 -11.023 -9.063 -3.578 1.00 0.00 H new ATOM 0 HA SER A 41 -11.390 -8.283 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.806 -6.001 -5.322 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.206 -6.793 -4.628 1.00 0.00 H new ATOM 0 HG SER A 41 -10.763 -7.594 -2.931 1.00 0.00 H new ATOM 574 N ARG A 42 -8.389 -8.708 -5.203 1.00 0.00 N ATOM 575 CA ARG A 42 -6.976 -8.700 -5.571 1.00 0.00 C ATOM 576 C ARG A 42 -6.413 -7.283 -5.529 1.00 0.00 C ATOM 577 O ARG A 42 -5.527 -6.932 -6.308 1.00 0.00 O ATOM 578 CB ARG A 42 -6.784 -9.299 -6.966 1.00 0.00 C ATOM 579 CG ARG A 42 -6.501 -10.794 -6.953 1.00 0.00 C ATOM 580 CD ARG A 42 -7.710 -11.596 -7.405 1.00 0.00 C ATOM 581 NE ARG A 42 -7.837 -12.856 -6.677 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.107 -13.938 -6.937 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.199 -13.919 -7.905 1.00 0.00 N ATOM 584 NH2 ARG A 42 -7.285 -15.043 -6.227 1.00 0.00 N ATOM 0 H ARG A 42 -8.602 -9.231 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.434 -9.309 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.679 -9.112 -7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.960 -8.786 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.655 -11.011 -7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.215 -11.102 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.613 -11.002 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.630 -11.801 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.525 -12.910 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.057 -13.072 -8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.643 -14.752 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.981 -15.064 -5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.726 -15.873 -6.426 1.00 0.00 H new ATOM 598 N VAL A 43 -6.934 -6.473 -4.613 1.00 0.00 N ATOM 599 CA VAL A 43 -6.485 -5.094 -4.468 1.00 0.00 C ATOM 600 C VAL A 43 -5.816 -4.875 -3.115 1.00 0.00 C ATOM 601 O VAL A 43 -6.426 -5.087 -2.067 1.00 0.00 O ATOM 602 CB VAL A 43 -7.656 -4.103 -4.613 1.00 0.00 C ATOM 603 CG1 VAL A 43 -7.144 -2.671 -4.657 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.474 -4.422 -5.856 1.00 0.00 C ATOM 0 H VAL A 43 -7.668 -6.748 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.763 -4.911 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.304 -4.206 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.986 -1.987 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.606 -2.449 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.473 -2.551 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.297 -3.712 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.838 -4.350 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.874 -5.433 -5.779 1.00 0.00 H new ATOM 614 N THR A 44 -4.557 -4.450 -3.146 1.00 0.00 N ATOM 615 CA THR A 44 -3.804 -4.204 -1.921 1.00 0.00 C ATOM 616 C THR A 44 -4.327 -2.965 -1.198 1.00 0.00 C ATOM 617 O THR A 44 -4.283 -1.858 -1.733 1.00 0.00 O ATOM 618 CB THR A 44 -2.317 -4.032 -2.236 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.952 -4.800 -3.369 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.413 -4.443 -1.093 1.00 0.00 C ATOM 0 H THR A 44 -4.037 -4.269 -4.005 1.00 0.00 H new ATOM 0 HA THR A 44 -3.934 -5.067 -1.267 1.00 0.00 H new ATOM 0 HB THR A 44 -2.182 -2.966 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.998 -4.675 -3.555 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.372 -4.296 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.636 -3.835 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.580 -5.494 -0.857 1.00 0.00 H new ATOM 628 N VAL A 45 -4.821 -3.162 0.020 1.00 0.00 N ATOM 629 CA VAL A 45 -5.352 -2.064 0.816 1.00 0.00 C ATOM 630 C VAL A 45 -5.000 -2.236 2.290 1.00 0.00 C ATOM 631 O VAL A 45 -4.680 -3.336 2.738 1.00 0.00 O ATOM 632 CB VAL A 45 -6.882 -1.953 0.674 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.261 -1.580 -0.750 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.552 -3.254 1.089 1.00 0.00 C ATOM 0 H VAL A 45 -4.864 -4.073 0.477 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.894 -1.150 0.439 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.234 -1.162 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.346 -1.506 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.812 -0.620 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.897 -2.345 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.632 -3.157 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.196 -4.065 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.308 -3.473 2.129 1.00 0.00 H new ATOM 644 N ASP A 46 -5.063 -1.141 3.040 1.00 0.00 N ATOM 645 CA ASP A 46 -4.750 -1.170 4.464 1.00 0.00 C ATOM 646 C ASP A 46 -5.663 -2.144 5.204 1.00 0.00 C ATOM 647 O ASP A 46 -6.851 -2.251 4.897 1.00 0.00 O ATOM 648 CB ASP A 46 -4.881 0.232 5.066 1.00 0.00 C ATOM 649 CG ASP A 46 -3.540 0.816 5.468 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.507 0.342 4.952 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.524 1.748 6.300 1.00 0.00 O ATOM 0 H ASP A 46 -5.328 -0.222 2.685 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.721 -1.511 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.359 0.892 4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.533 0.190 5.939 1.00 0.00 H new ATOM 656 N ARG A 47 -5.101 -2.851 6.178 1.00 0.00 N ATOM 657 CA ARG A 47 -5.864 -3.816 6.963 1.00 0.00 C ATOM 658 C ARG A 47 -7.039 -3.142 7.666 1.00 0.00 C ATOM 659 O ARG A 47 -8.058 -3.775 7.937 1.00 0.00 O ATOM 660 CB ARG A 47 -4.959 -4.495 7.993 1.00 0.00 C ATOM 661 CG ARG A 47 -5.421 -5.891 8.382 1.00 0.00 C ATOM 662 CD ARG A 47 -6.160 -5.888 9.712 1.00 0.00 C ATOM 663 NE ARG A 47 -5.515 -6.752 10.698 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.644 -8.076 10.721 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.395 -8.693 9.817 1.00 0.00 N ATOM 666 NH2 ARG A 47 -5.022 -8.787 11.653 1.00 0.00 N ATOM 0 H ARG A 47 -4.119 -2.774 6.443 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.258 -4.570 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.947 -4.555 7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.911 -3.874 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.073 -6.289 7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.559 -6.555 8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.208 -4.870 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.187 -6.218 9.557 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.931 -6.314 11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.877 -8.152 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.490 -9.708 9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.445 -8.318 12.352 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.121 -9.802 11.671 1.00 0.00 H new ATOM 680 N SER A 48 -6.887 -1.854 7.960 1.00 0.00 N ATOM 681 CA SER A 48 -7.937 -1.096 8.632 1.00 0.00 C ATOM 682 C SER A 48 -8.950 -0.558 7.626 1.00 0.00 C ATOM 683 O SER A 48 -10.129 -0.399 7.942 1.00 0.00 O ATOM 684 CB SER A 48 -7.330 0.059 9.428 1.00 0.00 C ATOM 685 OG SER A 48 -8.010 0.246 10.658 1.00 0.00 O ATOM 0 H SER A 48 -6.049 -1.315 7.744 1.00 0.00 H new ATOM 0 HA SER A 48 -8.454 -1.768 9.316 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.276 -0.142 9.619 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.379 0.975 8.839 1.00 0.00 H new ATOM 0 HG SER A 48 -7.601 0.989 11.148 1.00 0.00 H new ATOM 691 N THR A 49 -8.482 -0.281 6.412 1.00 0.00 N ATOM 692 CA THR A 49 -9.348 0.240 5.361 1.00 0.00 C ATOM 693 C THR A 49 -10.405 -0.785 4.967 1.00 0.00 C ATOM 694 O THR A 49 -11.549 -0.433 4.681 1.00 0.00 O ATOM 695 CB THR A 49 -8.520 0.632 4.136 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.501 1.550 4.492 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.343 1.262 3.034 1.00 0.00 C ATOM 0 H THR A 49 -7.509 -0.409 6.133 1.00 0.00 H new ATOM 0 HA THR A 49 -9.853 1.125 5.748 1.00 0.00 H new ATOM 0 HB THR A 49 -8.097 -0.301 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.722 1.967 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.695 1.516 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.106 0.558 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.822 2.166 3.409 1.00 0.00 H new ATOM 705 N ILE A 50 -10.015 -2.054 4.956 1.00 0.00 N ATOM 706 CA ILE A 50 -10.928 -3.133 4.599 1.00 0.00 C ATOM 707 C ILE A 50 -11.848 -3.479 5.765 1.00 0.00 C ATOM 708 O ILE A 50 -13.019 -3.804 5.569 1.00 0.00 O ATOM 709 CB ILE A 50 -10.162 -4.398 4.160 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.138 -5.473 3.679 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.304 -4.925 5.301 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.874 -5.097 2.411 1.00 0.00 C ATOM 0 H ILE A 50 -9.071 -2.361 5.191 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.528 -2.778 3.761 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.505 -4.134 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.590 -6.400 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.865 -5.671 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.771 -5.817 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.585 -4.162 5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.941 -5.174 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.548 -5.905 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.449 -4.187 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.155 -4.928 1.610 1.00 0.00 H new ATOM 724 N ALA A 51 -11.311 -3.408 6.979 1.00 0.00 N ATOM 725 CA ALA A 51 -12.085 -3.713 8.177 1.00 0.00 C ATOM 726 C ALA A 51 -13.336 -2.845 8.256 1.00 0.00 C ATOM 727 O ALA A 51 -14.410 -3.320 8.626 1.00 0.00 O ATOM 728 CB ALA A 51 -11.228 -3.523 9.421 1.00 0.00 C ATOM 0 H ALA A 51 -10.343 -3.142 7.159 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.400 -4.755 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.818 -3.754 10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.367 -4.189 9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.885 -2.490 9.472 1.00 0.00 H new ATOM 734 N ARG A 52 -13.191 -1.573 7.905 1.00 0.00 N ATOM 735 CA ARG A 52 -14.311 -0.640 7.932 1.00 0.00 C ATOM 736 C ARG A 52 -15.392 -1.068 6.946 1.00 0.00 C ATOM 737 O ARG A 52 -16.585 -0.933 7.218 1.00 0.00 O ATOM 738 CB ARG A 52 -13.831 0.776 7.602 1.00 0.00 C ATOM 739 CG ARG A 52 -14.914 1.834 7.751 1.00 0.00 C ATOM 740 CD ARG A 52 -14.473 2.965 8.666 1.00 0.00 C ATOM 741 NE ARG A 52 -13.746 4.006 7.940 1.00 0.00 N ATOM 742 CZ ARG A 52 -12.419 4.130 7.937 1.00 0.00 C ATOM 743 NH1 ARG A 52 -11.657 3.280 8.615 1.00 0.00 N ATOM 744 NH2 ARG A 52 -11.850 5.110 7.249 1.00 0.00 N ATOM 0 H ARG A 52 -12.309 -1.164 7.598 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.736 -0.645 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.995 1.029 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.454 0.794 6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.167 2.237 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.819 1.375 8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.347 3.403 9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.839 2.565 9.457 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.290 4.680 7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.086 2.522 9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.642 3.385 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.428 5.767 6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.835 5.207 7.245 1.00 0.00 H new ATOM 758 N HIS A 53 -14.965 -1.588 5.800 1.00 0.00 N ATOM 759 CA HIS A 53 -15.894 -2.041 4.771 1.00 0.00 C ATOM 760 C HIS A 53 -16.530 -3.373 5.160 1.00 0.00 C ATOM 761 O HIS A 53 -17.622 -3.707 4.700 1.00 0.00 O ATOM 762 CB HIS A 53 -15.173 -2.182 3.429 1.00 0.00 C ATOM 763 CG HIS A 53 -16.100 -2.365 2.268 1.00 0.00 C ATOM 764 ND1 HIS A 53 -17.099 -1.477 1.934 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.166 -3.364 1.350 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.726 -1.953 0.850 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.198 -3.095 0.456 1.00 0.00 N ATOM 0 H HIS A 53 -13.981 -1.706 5.560 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.683 -1.295 4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.562 -1.296 3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.494 -3.033 3.479 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.322 -0.611 2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.520 -4.229 1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.556 -1.464 0.362 1.00 0.00 H new ATOM 775 N LEU A 54 -15.839 -4.129 6.007 1.00 0.00 N ATOM 776 CA LEU A 54 -16.337 -5.424 6.457 1.00 0.00 C ATOM 777 C LEU A 54 -17.076 -5.295 7.786 1.00 0.00 C ATOM 778 O LEU A 54 -16.969 -6.162 8.654 1.00 0.00 O ATOM 779 CB LEU A 54 -15.180 -6.416 6.598 1.00 0.00 C ATOM 780 CG LEU A 54 -14.369 -6.653 5.323 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.161 -7.529 5.614 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.241 -7.284 4.248 1.00 0.00 C ATOM 0 H LEU A 54 -14.933 -3.867 6.395 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.038 -5.795 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.507 -6.057 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.580 -7.371 6.938 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.013 -5.690 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.596 -7.687 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.525 -7.039 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.494 -8.490 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.649 -7.446 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.626 -8.239 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.074 -6.620 4.019 1.00 0.00 H new ATOM 794 N LEU A 55 -17.826 -4.208 7.940 1.00 0.00 N ATOM 795 CA LEU A 55 -18.583 -3.969 9.164 1.00 0.00 C ATOM 796 C LEU A 55 -20.053 -4.321 8.969 1.00 0.00 C ATOM 797 O LEU A 55 -20.622 -5.098 9.736 1.00 0.00 O ATOM 798 CB LEU A 55 -18.450 -2.506 9.593 1.00 0.00 C ATOM 799 CG LEU A 55 -17.048 -2.085 10.036 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.016 -0.601 10.366 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.601 -2.909 11.235 1.00 0.00 C ATOM 0 H LEU A 55 -17.926 -3.479 7.233 1.00 0.00 H new ATOM 0 HA LEU A 55 -18.174 -4.608 9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.758 -1.871 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.144 -2.319 10.412 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.356 -2.268 9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.011 -0.320 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.295 -0.026 9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.719 -0.392 11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.601 -2.598 11.538 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.295 -2.755 12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.586 -3.965 10.965 1.00 0.00 H new ATOM 813 N SER A 56 -20.663 -3.747 7.937 1.00 0.00 N ATOM 814 CA SER A 56 -22.067 -4.003 7.639 1.00 0.00 C ATOM 815 C SER A 56 -22.207 -5.043 6.533 1.00 0.00 C ATOM 816 O SER A 56 -23.172 -5.808 6.505 1.00 0.00 O ATOM 817 CB SER A 56 -22.766 -2.705 7.227 1.00 0.00 C ATOM 818 OG SER A 56 -23.012 -1.878 8.351 1.00 0.00 O ATOM 0 H SER A 56 -20.206 -3.101 7.293 1.00 0.00 H new ATOM 0 HA SER A 56 -22.540 -4.393 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.149 -2.169 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.708 -2.938 6.730 1.00 0.00 H new ATOM 0 HG SER A 56 -23.458 -1.055 8.060 1.00 0.00 H new ATOM 824 N ASP A 57 -21.239 -5.068 5.624 1.00 0.00 N ATOM 825 CA ASP A 57 -21.254 -6.016 4.516 1.00 0.00 C ATOM 826 C ASP A 57 -19.896 -6.693 4.361 1.00 0.00 C ATOM 827 O ASP A 57 -18.958 -6.108 3.821 1.00 0.00 O ATOM 828 CB ASP A 57 -21.635 -5.307 3.216 1.00 0.00 C ATOM 829 CG ASP A 57 -22.879 -4.452 3.366 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.984 -5.026 3.465 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.747 -3.211 3.384 1.00 0.00 O ATOM 0 H ASP A 57 -20.433 -4.442 5.632 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.998 -6.781 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.804 -4.681 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.800 -6.050 2.435 1.00 0.00 H new ATOM 836 N GLN A 58 -19.799 -7.930 4.838 1.00 0.00 N ATOM 837 CA GLN A 58 -18.555 -8.687 4.752 1.00 0.00 C ATOM 838 C GLN A 58 -18.221 -9.021 3.301 1.00 0.00 C ATOM 839 O GLN A 58 -18.410 -10.152 2.855 1.00 0.00 O ATOM 840 CB GLN A 58 -18.658 -9.972 5.575 1.00 0.00 C ATOM 841 CG GLN A 58 -18.139 -9.827 6.996 1.00 0.00 C ATOM 842 CD GLN A 58 -19.202 -9.329 7.957 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.690 -10.079 8.803 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.565 -8.059 7.831 1.00 0.00 N ATOM 0 H GLN A 58 -20.566 -8.429 5.288 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.753 -8.069 5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.700 -10.290 5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.100 -10.762 5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.764 -10.790 7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.296 -9.136 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.134 -7.474 7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.275 -7.668 8.450 1.00 0.00 H new ATOM 853 N THR A 59 -17.725 -8.028 2.570 1.00 0.00 N ATOM 854 CA THR A 59 -17.364 -8.215 1.170 1.00 0.00 C ATOM 855 C THR A 59 -16.258 -7.248 0.759 1.00 0.00 C ATOM 856 O THR A 59 -15.680 -6.557 1.599 1.00 0.00 O ATOM 857 CB THR A 59 -18.588 -8.018 0.275 1.00 0.00 C ATOM 858 OG1 THR A 59 -18.944 -6.649 0.207 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.804 -8.786 0.747 1.00 0.00 C ATOM 0 H THR A 59 -17.564 -7.085 2.924 1.00 0.00 H new ATOM 0 HA THR A 59 -16.995 -9.233 1.049 1.00 0.00 H new ATOM 0 HB THR A 59 -18.295 -8.399 -0.703 1.00 0.00 H new ATOM 0 HG1 THR A 59 -19.728 -6.543 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.637 -8.602 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.577 -9.852 0.763 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.075 -8.458 1.750 1.00 0.00 H new ATOM 867 N ASP A 60 -15.967 -7.204 -0.537 1.00 0.00 N ATOM 868 CA ASP A 60 -14.930 -6.321 -1.057 1.00 0.00 C ATOM 869 C ASP A 60 -15.538 -5.031 -1.605 1.00 0.00 C ATOM 870 O ASP A 60 -16.626 -5.045 -2.181 1.00 0.00 O ATOM 871 CB ASP A 60 -14.128 -7.031 -2.151 1.00 0.00 C ATOM 872 CG ASP A 60 -12.702 -7.322 -1.725 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.174 -6.581 -0.871 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.113 -8.292 -2.247 1.00 0.00 O ATOM 0 H ASP A 60 -16.434 -7.769 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.260 -6.063 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.624 -7.966 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.117 -6.413 -3.049 1.00 0.00 H new ATOM 879 N PRO A 61 -14.842 -3.894 -1.435 1.00 0.00 N ATOM 880 CA PRO A 61 -15.322 -2.595 -1.917 1.00 0.00 C ATOM 881 C PRO A 61 -15.198 -2.447 -3.431 1.00 0.00 C ATOM 882 O PRO A 61 -15.658 -1.459 -4.004 1.00 0.00 O ATOM 883 CB PRO A 61 -14.404 -1.599 -1.207 1.00 0.00 C ATOM 884 CG PRO A 61 -13.137 -2.349 -0.985 1.00 0.00 C ATOM 885 CD PRO A 61 -13.534 -3.783 -0.758 1.00 0.00 C ATOM 0 HA PRO A 61 -16.382 -2.450 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.237 -0.710 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.837 -1.263 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.475 -2.260 -1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.596 -1.954 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.804 -4.473 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.612 -4.014 0.304 1.00 0.00 H new ATOM 893 N PHE A 62 -14.573 -3.429 -4.078 1.00 0.00 N ATOM 894 CA PHE A 62 -14.393 -3.396 -5.525 1.00 0.00 C ATOM 895 C PHE A 62 -15.114 -4.563 -6.193 1.00 0.00 C ATOM 896 O PHE A 62 -15.888 -4.371 -7.130 1.00 0.00 O ATOM 897 CB PHE A 62 -12.903 -3.435 -5.876 1.00 0.00 C ATOM 898 CG PHE A 62 -12.056 -2.547 -5.009 1.00 0.00 C ATOM 899 CD1 PHE A 62 -12.101 -1.169 -5.152 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.216 -3.092 -4.051 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.322 -0.351 -4.355 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.435 -2.278 -3.252 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.489 -0.906 -3.404 1.00 0.00 C ATOM 0 H PHE A 62 -14.184 -4.255 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.824 -2.466 -5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.545 -4.461 -5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.776 -3.140 -6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.751 -0.730 -5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.171 -4.164 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.365 0.721 -4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.783 -2.714 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.880 -0.268 -2.780 1.00 0.00 H new ATOM 913 N ASN A 63 -14.849 -5.771 -5.708 1.00 0.00 N ATOM 914 CA ASN A 63 -15.469 -6.970 -6.262 1.00 0.00 C ATOM 915 C ASN A 63 -16.853 -7.201 -5.660 1.00 0.00 C ATOM 916 O ASN A 63 -17.738 -7.756 -6.311 1.00 0.00 O ATOM 917 CB ASN A 63 -14.581 -8.190 -6.013 1.00 0.00 C ATOM 918 CG ASN A 63 -14.548 -9.134 -7.198 1.00 0.00 C ATOM 919 OD1 ASN A 63 -15.421 -9.988 -7.350 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.538 -8.984 -8.046 1.00 0.00 N ATOM 0 H ASN A 63 -14.210 -5.946 -4.933 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.583 -6.824 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.567 -7.858 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.943 -8.726 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.464 -9.590 -8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.836 -8.262 -7.881 1.00 0.00 H new ATOM 927 N ARG A 64 -17.032 -6.774 -4.414 1.00 0.00 N ATOM 928 CA ARG A 64 -18.308 -6.938 -3.726 1.00 0.00 C ATOM 929 C ARG A 64 -18.647 -8.416 -3.557 1.00 0.00 C ATOM 930 O ARG A 64 -19.816 -8.799 -3.562 1.00 0.00 O ATOM 931 CB ARG A 64 -19.424 -6.232 -4.499 1.00 0.00 C ATOM 932 CG ARG A 64 -20.687 -6.015 -3.679 1.00 0.00 C ATOM 933 CD ARG A 64 -21.368 -4.703 -4.037 1.00 0.00 C ATOM 934 NE ARG A 64 -22.767 -4.898 -4.410 1.00 0.00 N ATOM 935 CZ ARG A 64 -23.159 -5.507 -5.526 1.00 0.00 C ATOM 936 NH1 ARG A 64 -22.262 -5.985 -6.380 1.00 0.00 N ATOM 937 NH2 ARG A 64 -24.452 -5.641 -5.790 1.00 0.00 N ATOM 0 H ARG A 64 -16.310 -6.312 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.220 -6.487 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.058 -5.267 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.671 -6.820 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.377 -6.842 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.438 -6.019 -2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.310 -4.021 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.835 -4.231 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 64 -23.486 -4.546 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.266 -5.886 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -22.569 -6.451 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -25.146 -5.277 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -24.752 -6.108 -6.646 1.00 0.00 H new ATOM 951 N SER A 65 -17.616 -9.240 -3.408 1.00 0.00 N ATOM 952 CA SER A 65 -17.803 -10.677 -3.237 1.00 0.00 C ATOM 953 C SER A 65 -17.531 -11.094 -1.793 1.00 0.00 C ATOM 954 O SER A 65 -17.002 -10.312 -1.002 1.00 0.00 O ATOM 955 CB SER A 65 -16.883 -11.448 -4.185 1.00 0.00 C ATOM 956 OG SER A 65 -17.562 -11.802 -5.378 1.00 0.00 O ATOM 0 H SER A 65 -16.642 -8.938 -3.402 1.00 0.00 H new ATOM 0 HA SER A 65 -18.840 -10.914 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.011 -10.840 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.517 -12.348 -3.690 1.00 0.00 H new ATOM 0 HG SER A 65 -16.952 -12.292 -5.968 1.00 0.00 H new ATOM 962 N PRO A 66 -17.889 -12.337 -1.429 1.00 0.00 N ATOM 963 CA PRO A 66 -17.681 -12.854 -0.073 1.00 0.00 C ATOM 964 C PRO A 66 -16.240 -12.685 0.396 1.00 0.00 C ATOM 965 O PRO A 66 -15.334 -13.362 -0.091 1.00 0.00 O ATOM 966 CB PRO A 66 -18.031 -14.338 -0.199 1.00 0.00 C ATOM 967 CG PRO A 66 -18.964 -14.412 -1.357 1.00 0.00 C ATOM 968 CD PRO A 66 -18.526 -13.334 -2.311 1.00 0.00 C ATOM 0 HA PRO A 66 -18.285 -12.322 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.140 -14.941 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.500 -14.713 0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.922 -15.393 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.995 -14.256 -1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.828 -13.716 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.371 -12.910 -2.853 1.00 0.00 H new ATOM 976 N LEU A 67 -16.034 -11.777 1.344 1.00 0.00 N ATOM 977 CA LEU A 67 -14.702 -11.518 1.879 1.00 0.00 C ATOM 978 C LEU A 67 -14.763 -11.241 3.377 1.00 0.00 C ATOM 979 O LEU A 67 -15.744 -10.693 3.879 1.00 0.00 O ATOM 980 CB LEU A 67 -14.061 -10.333 1.155 1.00 0.00 C ATOM 981 CG LEU A 67 -12.630 -10.007 1.586 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.637 -10.905 0.864 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.316 -8.542 1.322 1.00 0.00 C ATOM 0 H LEU A 67 -16.772 -11.208 1.758 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.092 -12.407 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.064 -10.536 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.682 -9.451 1.314 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.542 -10.191 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.624 -10.658 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.849 -11.947 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.725 -10.754 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.294 -8.327 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.422 -8.333 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.007 -7.915 1.885 1.00 0.00 H new ATOM 995 N THR A 68 -13.706 -11.622 4.087 1.00 0.00 N ATOM 996 CA THR A 68 -13.639 -11.415 5.529 1.00 0.00 C ATOM 997 C THR A 68 -12.215 -11.086 5.964 1.00 0.00 C ATOM 998 O THR A 68 -11.285 -11.122 5.160 1.00 0.00 O ATOM 999 CB THR A 68 -14.138 -12.658 6.267 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.345 -13.786 5.943 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.577 -13.002 5.953 1.00 0.00 C ATOM 0 H THR A 68 -12.884 -12.076 3.687 1.00 0.00 H new ATOM 0 HA THR A 68 -14.281 -10.571 5.781 1.00 0.00 H new ATOM 0 HB THR A 68 -14.063 -12.415 7.327 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.921 -14.573 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.868 -13.893 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.221 -12.170 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.681 -13.191 4.885 1.00 0.00 H new ATOM 1009 N MET A 69 -12.053 -10.767 7.245 1.00 0.00 N ATOM 1010 CA MET A 69 -10.741 -10.433 7.787 1.00 0.00 C ATOM 1011 C MET A 69 -9.841 -11.663 7.837 1.00 0.00 C ATOM 1012 O MET A 69 -8.617 -11.553 7.751 1.00 0.00 O ATOM 1013 CB MET A 69 -10.883 -9.835 9.187 1.00 0.00 C ATOM 1014 CG MET A 69 -9.679 -9.012 9.622 1.00 0.00 C ATOM 1015 SD MET A 69 -10.066 -7.262 9.825 1.00 0.00 S ATOM 1016 CE MET A 69 -10.022 -6.705 8.124 1.00 0.00 C ATOM 0 H MET A 69 -12.812 -10.733 7.925 1.00 0.00 H new ATOM 0 HA MET A 69 -10.281 -9.697 7.128 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.773 -9.206 9.216 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.040 -10.641 9.903 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.296 -9.406 10.563 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.884 -9.121 8.884 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.273 -5.920 8.017 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.766 -7.542 7.474 1.00 0.00 H new ATOM 0 HE3 MET A 69 -11.000 -6.313 7.844 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.453 -12.835 7.977 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.705 -14.085 8.040 1.00 0.00 C ATOM 1028 C ASP A 70 -9.268 -14.531 6.647 1.00 0.00 C ATOM 1029 O ASP A 70 -8.231 -15.175 6.488 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.552 -15.178 8.694 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.638 -15.018 10.199 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -11.472 -14.213 10.664 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.873 -15.699 10.913 1.00 0.00 O ATOM 0 H ASP A 70 -11.465 -12.945 8.049 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.813 -13.914 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.556 -15.158 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.127 -16.154 8.459 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.066 -14.187 5.641 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.760 -14.554 4.262 1.00 0.00 C ATOM 1040 C GLN A 71 -8.569 -13.756 3.737 1.00 0.00 C ATOM 1041 O GLN A 71 -7.744 -14.276 2.987 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.977 -14.321 3.367 1.00 0.00 C ATOM 1043 CG GLN A 71 -12.044 -15.398 3.499 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.681 -15.754 2.170 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -12.952 -14.743 1.352 1.00 0.00 O flip ATOM 1046 NE2 GLN A 71 -12.928 -16.925 1.882 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.929 -13.655 5.754 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.502 -15.613 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.417 -13.354 3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.650 -14.271 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.600 -16.292 3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.816 -15.056 4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.703 -17.671 2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.358 -17.150 0.985 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.488 -12.491 4.136 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.400 -11.623 3.704 1.00 0.00 C ATOM 1057 C ILE A 72 -6.115 -11.931 4.465 1.00 0.00 C ATOM 1058 O ILE A 72 -6.149 -12.498 5.557 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.755 -10.136 3.900 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.079 -9.855 5.369 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.928 -9.750 3.011 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.583 -8.509 5.850 1.00 0.00 C ATOM 0 H ILE A 72 -9.163 -12.045 4.757 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.246 -11.815 2.642 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.893 -9.532 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.158 -9.907 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.638 -10.638 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.167 -8.697 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.664 -9.917 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.795 -10.359 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.848 -8.377 6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.500 -8.460 5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.044 -7.719 5.258 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.983 -11.553 3.881 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.685 -11.789 4.504 1.00 0.00 C ATOM 1076 C ARG A 73 -2.787 -10.561 4.374 1.00 0.00 C ATOM 1077 O ARG A 73 -2.898 -9.799 3.413 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.004 -13.003 3.867 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.919 -14.208 3.724 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.393 -15.189 2.687 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.787 -16.367 3.305 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.485 -17.386 3.798 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.812 -17.377 3.750 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -2.856 -18.420 4.342 1.00 0.00 N ATOM 0 H ARG A 73 -4.938 -11.082 2.977 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.849 -11.986 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.628 -12.724 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.140 -13.283 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.013 -14.711 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.917 -13.876 3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.210 -15.501 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.656 -14.690 2.057 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.769 -16.410 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.302 -16.585 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.341 -18.162 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.837 -18.433 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.392 -19.201 4.720 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.880 -10.353 5.344 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.961 -9.210 5.332 1.00 0.00 C ATOM 1100 C PRO A 74 0.096 -9.328 4.239 1.00 0.00 C ATOM 1101 O PRO A 74 0.833 -10.312 4.179 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.308 -9.263 6.715 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.400 -10.694 7.121 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.678 -11.213 6.525 1.00 0.00 C ATOM 0 HA PRO A 74 -1.479 -8.273 5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.728 -8.928 6.677 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.826 -8.616 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.458 -11.259 6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.408 -10.792 8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.594 -12.264 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.509 -11.134 7.226 1.00 0.00 H new ATOM 1112 N ASN A 75 0.164 -8.318 3.377 1.00 0.00 N ATOM 1113 CA ASN A 75 1.131 -8.310 2.286 1.00 0.00 C ATOM 1114 C ASN A 75 2.544 -8.071 2.812 1.00 0.00 C ATOM 1115 O ASN A 75 3.008 -6.933 2.880 1.00 0.00 O ATOM 1116 CB ASN A 75 0.768 -7.233 1.262 1.00 0.00 C ATOM 1117 CG ASN A 75 1.091 -7.653 -0.158 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.241 -8.839 -0.448 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.202 -6.678 -1.052 1.00 0.00 N ATOM 0 H ASN A 75 -0.439 -7.496 3.413 1.00 0.00 H new ATOM 0 HA ASN A 75 1.102 -9.286 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.296 -7.007 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.307 -6.315 1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.420 -6.899 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.069 -5.708 -0.767 1.00 0.00 H new ATOM 1126 N THR A 76 3.221 -9.152 3.182 1.00 0.00 N ATOM 1127 CA THR A 76 4.581 -9.062 3.702 1.00 0.00 C ATOM 1128 C THR A 76 5.534 -8.519 2.641 1.00 0.00 C ATOM 1129 O THR A 76 6.430 -7.731 2.942 1.00 0.00 O ATOM 1130 CB THR A 76 5.058 -10.433 4.180 1.00 0.00 C ATOM 1131 OG1 THR A 76 3.956 -11.267 4.492 1.00 0.00 O ATOM 1132 CG2 THR A 76 5.945 -10.365 5.405 1.00 0.00 C ATOM 0 H THR A 76 2.851 -10.101 3.132 1.00 0.00 H new ATOM 0 HA THR A 76 4.576 -8.373 4.547 1.00 0.00 H new ATOM 0 HB THR A 76 5.640 -10.841 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.708 -11.790 3.701 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.248 -11.372 5.691 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.830 -9.770 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.396 -9.904 6.226 1.00 0.00 H new ATOM 1140 N GLU A 77 5.335 -8.948 1.399 1.00 0.00 N ATOM 1141 CA GLU A 77 6.177 -8.506 0.293 1.00 0.00 C ATOM 1142 C GLU A 77 6.131 -6.988 0.145 1.00 0.00 C ATOM 1143 O GLU A 77 7.108 -6.366 -0.270 1.00 0.00 O ATOM 1144 CB GLU A 77 5.732 -9.171 -1.011 1.00 0.00 C ATOM 1145 CG GLU A 77 6.433 -10.492 -1.291 1.00 0.00 C ATOM 1146 CD GLU A 77 5.799 -11.256 -2.436 1.00 0.00 C ATOM 1147 OE1 GLU A 77 5.556 -10.643 -3.496 1.00 0.00 O ATOM 1148 OE2 GLU A 77 5.547 -12.468 -2.273 1.00 0.00 O ATOM 0 H GLU A 77 4.598 -9.601 1.133 1.00 0.00 H new ATOM 0 HA GLU A 77 7.204 -8.800 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.656 -9.341 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.918 -8.488 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.481 -10.301 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.412 -11.108 -0.392 1.00 0.00 H new ATOM 1155 N LEU A 78 4.990 -6.400 0.488 1.00 0.00 N ATOM 1156 CA LEU A 78 4.818 -4.955 0.394 1.00 0.00 C ATOM 1157 C LEU A 78 5.237 -4.272 1.691 1.00 0.00 C ATOM 1158 O LEU A 78 5.839 -3.198 1.673 1.00 0.00 O ATOM 1159 CB LEU A 78 3.361 -4.614 0.072 1.00 0.00 C ATOM 1160 CG LEU A 78 3.109 -3.159 -0.327 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.793 -2.840 -1.648 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.615 -2.885 -0.419 1.00 0.00 C ATOM 0 H LEU A 78 4.171 -6.901 0.833 1.00 0.00 H new ATOM 0 HA LEU A 78 5.456 -4.590 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.023 -5.261 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.748 -4.847 0.943 1.00 0.00 H new ATOM 0 HG LEU A 78 3.532 -2.513 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.602 -1.801 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.867 -2.998 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.401 -3.493 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.453 -1.845 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.170 -3.540 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.150 -3.073 0.549 1.00 0.00 H new ATOM 1174 N LYS A 79 4.914 -4.901 2.816 1.00 0.00 N ATOM 1175 CA LYS A 79 5.257 -4.356 4.124 1.00 0.00 C ATOM 1176 C LYS A 79 6.763 -4.152 4.251 1.00 0.00 C ATOM 1177 O LYS A 79 7.221 -3.239 4.937 1.00 0.00 O ATOM 1178 CB LYS A 79 4.761 -5.284 5.235 1.00 0.00 C ATOM 1179 CG LYS A 79 4.568 -4.584 6.570 1.00 0.00 C ATOM 1180 CD LYS A 79 4.822 -5.528 7.735 1.00 0.00 C ATOM 1181 CE LYS A 79 4.306 -4.950 9.042 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.834 -5.689 10.223 1.00 0.00 N ATOM 0 H LYS A 79 4.415 -5.790 2.848 1.00 0.00 H new ATOM 0 HA LYS A 79 4.767 -3.387 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.815 -5.731 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.473 -6.099 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.244 -3.732 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.553 -4.191 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.337 -6.485 7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.891 -5.724 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.592 -3.901 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.217 -4.985 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.459 -5.264 11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.540 -6.685 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.873 -5.635 10.231 1.00 0.00 H new ATOM 1196 N GLU A 80 7.529 -5.010 3.582 1.00 0.00 N ATOM 1197 CA GLU A 80 8.984 -4.924 3.619 1.00 0.00 C ATOM 1198 C GLU A 80 9.475 -3.713 2.831 1.00 0.00 C ATOM 1199 O GLU A 80 10.484 -3.101 3.180 1.00 0.00 O ATOM 1200 CB GLU A 80 9.606 -6.202 3.055 1.00 0.00 C ATOM 1201 CG GLU A 80 9.426 -7.415 3.954 1.00 0.00 C ATOM 1202 CD GLU A 80 10.105 -8.654 3.405 1.00 0.00 C ATOM 1203 OE1 GLU A 80 10.051 -8.864 2.175 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.689 -9.414 4.206 1.00 0.00 O ATOM 0 H GLU A 80 7.166 -5.771 3.009 1.00 0.00 H new ATOM 0 HA GLU A 80 9.291 -4.809 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.163 -6.413 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.671 -6.036 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.828 -7.193 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.362 -7.614 4.080 1.00 0.00 H new ATOM 1211 N LYS A 81 8.753 -3.375 1.767 1.00 0.00 N ATOM 1212 CA LYS A 81 9.114 -2.237 0.930 1.00 0.00 C ATOM 1213 C LYS A 81 8.878 -0.923 1.668 1.00 0.00 C ATOM 1214 O LYS A 81 9.583 0.060 1.447 1.00 0.00 O ATOM 1215 CB LYS A 81 8.309 -2.258 -0.370 1.00 0.00 C ATOM 1216 CG LYS A 81 8.914 -3.144 -1.446 1.00 0.00 C ATOM 1217 CD LYS A 81 7.935 -3.393 -2.581 1.00 0.00 C ATOM 1218 CE LYS A 81 8.296 -4.643 -3.366 1.00 0.00 C ATOM 1219 NZ LYS A 81 7.701 -4.634 -4.731 1.00 0.00 N ATOM 0 H LYS A 81 7.916 -3.873 1.465 1.00 0.00 H new ATOM 0 HA LYS A 81 10.175 -2.314 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.297 -2.601 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.226 -1.241 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.816 -2.675 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.214 -4.096 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.927 -3.494 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.926 -2.532 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.380 -4.722 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.950 -5.524 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.971 -5.504 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.665 -4.584 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.051 -3.808 -5.257 1.00 0.00 H new ATOM 1233 N ILE A 82 7.880 -0.916 2.547 1.00 0.00 N ATOM 1234 CA ILE A 82 7.552 0.276 3.319 1.00 0.00 C ATOM 1235 C ILE A 82 8.600 0.535 4.397 1.00 0.00 C ATOM 1236 O ILE A 82 8.889 1.684 4.733 1.00 0.00 O ATOM 1237 CB ILE A 82 6.166 0.155 3.983 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.116 -0.260 2.952 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.777 1.470 4.642 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.815 -0.727 3.568 1.00 0.00 C ATOM 0 H ILE A 82 7.286 -1.722 2.742 1.00 0.00 H new ATOM 0 HA ILE A 82 7.537 1.112 2.620 1.00 0.00 H new ATOM 0 HB ILE A 82 6.216 -0.615 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.914 0.583 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.523 -1.059 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.796 1.368 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.514 1.728 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.742 2.258 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.118 -1.005 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.004 -1.590 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.385 0.078 4.164 1.00 0.00 H new ATOM 1252 N GLN A 83 9.166 -0.541 4.935 1.00 0.00 N ATOM 1253 CA GLN A 83 10.184 -0.430 5.973 1.00 0.00 C ATOM 1254 C GLN A 83 11.494 0.092 5.394 1.00 0.00 C ATOM 1255 O GLN A 83 12.187 0.893 6.022 1.00 0.00 O ATOM 1256 CB GLN A 83 10.413 -1.787 6.641 1.00 0.00 C ATOM 1257 CG GLN A 83 9.127 -2.481 7.063 1.00 0.00 C ATOM 1258 CD GLN A 83 9.133 -2.884 8.525 1.00 0.00 C ATOM 1259 OE1 GLN A 83 10.023 -3.605 8.979 1.00 0.00 O ATOM 1260 NE2 GLN A 83 8.137 -2.422 9.271 1.00 0.00 N ATOM 0 H GLN A 83 8.937 -1.499 4.669 1.00 0.00 H new ATOM 0 HA GLN A 83 9.829 0.279 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.957 -2.434 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.046 -1.649 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.283 -1.817 6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.978 -3.367 6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.421 -1.828 8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.088 -2.661 10.261 1.00 0.00 H new ATOM 1269 N ARG A 84 11.827 -0.366 4.192 1.00 0.00 N ATOM 1270 CA ARG A 84 13.055 0.056 3.526 1.00 0.00 C ATOM 1271 C ARG A 84 13.037 1.557 3.261 1.00 0.00 C ATOM 1272 O ARG A 84 14.055 2.235 3.399 1.00 0.00 O ATOM 1273 CB ARG A 84 13.235 -0.707 2.212 1.00 0.00 C ATOM 1274 CG ARG A 84 14.176 -1.896 2.323 1.00 0.00 C ATOM 1275 CD ARG A 84 15.631 -1.467 2.210 1.00 0.00 C ATOM 1276 NE ARG A 84 16.472 -2.527 1.660 1.00 0.00 N ATOM 1277 CZ ARG A 84 16.370 -2.986 0.415 1.00 0.00 C ATOM 1278 NH1 ARG A 84 15.464 -2.480 -0.413 1.00 0.00 N ATOM 1279 NH2 ARG A 84 17.176 -3.952 -0.004 1.00 0.00 N ATOM 0 H ARG A 84 11.264 -1.029 3.659 1.00 0.00 H new ATOM 0 HA ARG A 84 13.895 -0.169 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.261 -1.056 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.615 -0.023 1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.017 -2.400 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.946 -2.618 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.700 -0.583 1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.003 -1.183 3.194 1.00 0.00 H new ATOM 0 HE ARG A 84 17.180 -2.940 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.842 -1.736 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.390 -2.835 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.874 -4.343 0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.098 -4.304 -0.958 1.00 0.00 H new ATOM 1293 N TRP A 85 11.872 2.072 2.880 1.00 0.00 N ATOM 1294 CA TRP A 85 11.721 3.494 2.595 1.00 0.00 C ATOM 1295 C TRP A 85 11.715 4.306 3.887 1.00 0.00 C ATOM 1296 O TRP A 85 12.444 5.289 4.016 1.00 0.00 O ATOM 1297 CB TRP A 85 10.428 3.744 1.815 1.00 0.00 C ATOM 1298 CG TRP A 85 10.195 5.189 1.495 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.925 5.969 0.643 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.164 6.030 2.024 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.410 7.242 0.610 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.328 7.305 1.450 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.117 5.828 2.929 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.484 8.371 1.750 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.280 6.888 3.226 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.469 8.145 2.638 1.00 0.00 C ATOM 0 H TRP A 85 11.019 1.525 2.762 1.00 0.00 H new ATOM 0 HA TRP A 85 12.569 3.812 1.989 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.457 3.174 0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.585 3.367 2.394 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.782 5.633 0.078 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.773 8.014 0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.965 4.862 3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.626 9.341 1.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.467 6.744 3.923 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.799 8.953 2.891 1.00 0.00 H new ATOM 1317 N LEU A 86 10.891 3.885 4.841 1.00 0.00 N ATOM 1318 CA LEU A 86 10.791 4.571 6.124 1.00 0.00 C ATOM 1319 C LEU A 86 12.149 4.639 6.814 1.00 0.00 C ATOM 1320 O LEU A 86 12.438 5.584 7.548 1.00 0.00 O ATOM 1321 CB LEU A 86 9.781 3.861 7.027 1.00 0.00 C ATOM 1322 CG LEU A 86 8.313 4.166 6.724 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.406 3.149 7.400 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.960 5.578 7.170 1.00 0.00 C ATOM 0 H LEU A 86 10.282 3.072 4.750 1.00 0.00 H new ATOM 0 HA LEU A 86 10.449 5.589 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.937 2.785 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.987 4.135 8.062 1.00 0.00 H new ATOM 0 HG LEU A 86 8.162 4.097 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.366 3.382 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.642 2.150 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.559 3.185 8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.912 5.779 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.127 5.673 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.587 6.295 6.640 1.00 0.00 H new ATOM 1336 N ALA A 87 12.981 3.630 6.572 1.00 0.00 N ATOM 1337 CA ALA A 87 14.309 3.576 7.168 1.00 0.00 C ATOM 1338 C ALA A 87 15.300 4.422 6.375 1.00 0.00 C ATOM 1339 O ALA A 87 16.243 4.979 6.936 1.00 0.00 O ATOM 1340 CB ALA A 87 14.791 2.135 7.252 1.00 0.00 C ATOM 0 H ALA A 87 12.758 2.840 5.967 1.00 0.00 H new ATOM 0 HA ALA A 87 14.246 3.986 8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.785 2.109 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.101 1.556 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.833 1.706 6.251 1.00 0.00 H new ATOM 1346 N GLU A 88 15.078 4.514 5.069 1.00 0.00 N ATOM 1347 CA GLU A 88 15.950 5.293 4.198 1.00 0.00 C ATOM 1348 C GLU A 88 15.641 6.783 4.312 1.00 0.00 C ATOM 1349 O GLU A 88 16.544 7.603 4.479 1.00 0.00 O ATOM 1350 CB GLU A 88 15.796 4.839 2.746 1.00 0.00 C ATOM 1351 CG GLU A 88 16.791 3.765 2.335 1.00 0.00 C ATOM 1352 CD GLU A 88 17.357 3.994 0.948 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.917 5.085 0.708 1.00 0.00 O ATOM 1354 OE2 GLU A 88 17.241 3.084 0.101 1.00 0.00 O ATOM 0 H GLU A 88 14.301 4.059 4.590 1.00 0.00 H new ATOM 0 HA GLU A 88 16.980 5.127 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.784 4.461 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.914 5.702 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.608 3.737 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.303 2.791 2.368 1.00 0.00 H new ATOM 1361 N ARG A 89 14.360 7.125 4.222 1.00 0.00 N ATOM 1362 CA ARG A 89 13.933 8.516 4.316 1.00 0.00 C ATOM 1363 C ARG A 89 14.247 9.098 5.694 1.00 0.00 C ATOM 1364 O ARG A 89 14.281 10.317 5.868 1.00 0.00 O ATOM 1365 CB ARG A 89 12.433 8.633 4.031 1.00 0.00 C ATOM 1366 CG ARG A 89 11.558 7.959 5.075 1.00 0.00 C ATOM 1367 CD ARG A 89 10.364 8.824 5.446 1.00 0.00 C ATOM 1368 NE ARG A 89 10.632 9.654 6.618 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.701 10.364 7.251 1.00 0.00 C ATOM 1370 NH1 ARG A 89 8.443 10.350 6.829 1.00 0.00 N ATOM 1371 NH2 ARG A 89 10.030 11.092 8.310 1.00 0.00 N ATOM 0 H ARG A 89 13.600 6.459 4.084 1.00 0.00 H new ATOM 0 HA ARG A 89 14.485 9.086 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.165 9.688 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.222 8.195 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.209 7.000 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.149 7.751 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.103 9.462 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.502 8.187 5.643 1.00 0.00 H new ATOM 0 HE ARG A 89 11.588 9.692 6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.184 9.793 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.735 10.896 7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.996 11.107 8.638 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.317 11.637 8.796 1.00 0.00 H new ATOM 1385 N LYS A 90 14.478 8.223 6.670 1.00 0.00 N ATOM 1386 CA LYS A 90 14.789 8.657 8.027 1.00 0.00 C ATOM 1387 C LYS A 90 16.297 8.708 8.252 1.00 0.00 C ATOM 1388 O LYS A 90 16.791 8.327 9.313 1.00 0.00 O ATOM 1389 CB LYS A 90 14.141 7.715 9.046 1.00 0.00 C ATOM 1390 CG LYS A 90 12.655 7.965 9.245 1.00 0.00 C ATOM 1391 CD LYS A 90 12.389 8.770 10.507 1.00 0.00 C ATOM 1392 CE LYS A 90 10.918 8.737 10.888 1.00 0.00 C ATOM 1393 NZ LYS A 90 10.578 9.795 11.880 1.00 0.00 N ATOM 0 H LYS A 90 14.455 7.211 6.545 1.00 0.00 H new ATOM 0 HA LYS A 90 14.387 9.661 8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.288 6.685 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.651 7.823 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.256 8.498 8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.129 7.012 9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.987 8.372 11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.704 9.802 10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.308 8.868 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.672 7.759 11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.566 9.739 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.141 9.656 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.789 10.730 11.476 1.00 0.00 H new ATOM 1407 N GLN A 91 17.026 9.184 7.247 1.00 0.00 N ATOM 1408 CA GLN A 91 18.477 9.287 7.335 1.00 0.00 C ATOM 1409 C GLN A 91 18.974 10.560 6.658 1.00 0.00 C ATOM 1410 O GLN A 91 20.087 10.601 6.131 1.00 0.00 O ATOM 1411 CB GLN A 91 19.138 8.065 6.696 1.00 0.00 C ATOM 1412 CG GLN A 91 18.794 6.756 7.388 1.00 0.00 C ATOM 1413 CD GLN A 91 20.016 5.901 7.663 1.00 0.00 C ATOM 1414 OE1 GLN A 91 20.518 5.859 8.786 1.00 0.00 O ATOM 1415 NE2 GLN A 91 20.503 5.215 6.634 1.00 0.00 N ATOM 0 H GLN A 91 16.634 9.505 6.362 1.00 0.00 H new ATOM 0 HA GLN A 91 18.749 9.327 8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.836 8.004 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 91 20.220 8.199 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.286 6.969 8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.095 6.195 6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.055 5.280 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.325 4.624 6.758 1.00 0.00 H new ATOM 1424 N GLN A 92 18.142 11.597 6.675 1.00 0.00 N ATOM 1425 CA GLN A 92 18.497 12.871 6.061 1.00 0.00 C ATOM 1426 C GLN A 92 19.490 13.637 6.930 1.00 0.00 C ATOM 1427 O GLN A 92 19.727 13.278 8.083 1.00 0.00 O ATOM 1428 CB GLN A 92 17.243 13.718 5.834 1.00 0.00 C ATOM 1429 CG GLN A 92 16.425 13.282 4.629 1.00 0.00 C ATOM 1430 CD GLN A 92 16.755 14.079 3.382 1.00 0.00 C ATOM 1431 OE1 GLN A 92 17.923 14.297 3.061 1.00 0.00 O ATOM 1432 NE2 GLN A 92 15.723 14.519 2.671 1.00 0.00 N ATOM 0 H GLN A 92 17.218 11.580 7.107 1.00 0.00 H new ATOM 0 HA GLN A 92 18.967 12.663 5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.616 13.671 6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 92 17.537 14.760 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.603 12.224 4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.364 13.391 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.771 14.315 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.883 15.061 1.822 1.00 0.00 H new ATOM 1441 N SER A 93 20.068 14.694 6.368 1.00 0.00 N ATOM 1442 CA SER A 93 21.036 15.509 7.091 1.00 0.00 C ATOM 1443 C SER A 93 21.156 16.895 6.464 1.00 0.00 C ATOM 1444 O SER A 93 21.630 17.038 5.337 1.00 0.00 O ATOM 1445 CB SER A 93 22.403 14.823 7.105 1.00 0.00 C ATOM 1446 OG SER A 93 23.060 15.018 8.346 1.00 0.00 O ATOM 0 H SER A 93 19.882 15.005 5.415 1.00 0.00 H new ATOM 0 HA SER A 93 20.684 15.623 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 93 22.280 13.756 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 93 23.020 15.218 6.298 1.00 0.00 H new ATOM 0 HG SER A 93 23.931 14.568 8.329 1.00 0.00 H new ATOM 1452 N GLY A 94 20.723 17.912 7.202 1.00 0.00 N ATOM 1453 CA GLY A 94 20.791 19.273 6.701 1.00 0.00 C ATOM 1454 C GLY A 94 19.542 20.072 7.023 1.00 0.00 C ATOM 1455 O GLY A 94 18.688 20.267 6.158 1.00 0.00 O ATOM 0 H GLY A 94 20.327 17.819 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.659 19.772 7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 94 20.937 19.253 5.621 1.00 0.00 H new ATOM 1459 N PRO A 95 19.406 20.554 8.270 1.00 0.00 N ATOM 1460 CA PRO A 95 18.242 21.339 8.692 1.00 0.00 C ATOM 1461 C PRO A 95 18.211 22.721 8.045 1.00 0.00 C ATOM 1462 O PRO A 95 17.143 23.301 7.848 1.00 0.00 O ATOM 1463 CB PRO A 95 18.423 21.463 10.206 1.00 0.00 C ATOM 1464 CG PRO A 95 19.890 21.322 10.425 1.00 0.00 C ATOM 1465 CD PRO A 95 20.376 20.371 9.367 1.00 0.00 C ATOM 0 HA PRO A 95 17.305 20.865 8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.059 22.423 10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.867 20.689 10.736 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.391 22.286 10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.101 20.937 11.423 1.00 0.00 H new ATOM 0 HD2 PRO A 95 21.391 20.608 9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.387 19.342 9.726 1.00 0.00 H new ATOM 1473 N SER A 96 19.389 23.240 7.715 1.00 0.00 N ATOM 1474 CA SER A 96 19.497 24.552 7.089 1.00 0.00 C ATOM 1475 C SER A 96 19.821 24.423 5.605 1.00 0.00 C ATOM 1476 O SER A 96 19.421 25.260 4.796 1.00 0.00 O ATOM 1477 CB SER A 96 20.572 25.387 7.787 1.00 0.00 C ATOM 1478 OG SER A 96 20.279 26.770 7.706 1.00 0.00 O ATOM 0 H SER A 96 20.282 22.772 7.871 1.00 0.00 H new ATOM 0 HA SER A 96 18.535 25.054 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 96 20.646 25.089 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 96 21.542 25.191 7.330 1.00 0.00 H new ATOM 0 HG SER A 96 20.981 27.280 8.161 1.00 0.00 H new ATOM 1484 N SER A 97 20.548 23.368 5.253 1.00 0.00 N ATOM 1485 CA SER A 97 20.927 23.127 3.865 1.00 0.00 C ATOM 1486 C SER A 97 19.692 22.981 2.981 1.00 0.00 C ATOM 1487 O SER A 97 19.630 23.544 1.888 1.00 0.00 O ATOM 1488 CB SER A 97 21.793 21.871 3.762 1.00 0.00 C ATOM 1489 OG SER A 97 22.594 21.897 2.593 1.00 0.00 O ATOM 0 H SER A 97 20.887 22.665 5.910 1.00 0.00 H new ATOM 0 HA SER A 97 21.501 23.986 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.431 21.793 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.156 20.987 3.750 1.00 0.00 H new ATOM 0 HG SER A 97 23.139 21.084 2.552 1.00 0.00 H new ATOM 1495 N GLY A 98 18.713 22.222 3.461 1.00 0.00 N ATOM 1496 CA GLY A 98 17.494 22.016 2.703 1.00 0.00 C ATOM 1497 C GLY A 98 17.730 21.229 1.429 1.00 0.00 C ATOM 1498 O GLY A 98 18.188 20.071 1.522 1.00 0.00 O ATOM 1499 OXT GLY A 98 17.457 21.771 0.337 1.00 0.00 O ATOM 0 H GLY A 98 18.742 21.746 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.769 21.489 3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 98 17.057 22.983 2.454 1.00 0.00 H new TER 1503 GLY A 98